CID 6449098

178408-30-5

Structural Information

Molecular Formula
C22H18N2O2
SMILES
C1CN(C(=O)/C(=C\C(=O)C2=CC=CC3=CC=CC=C32)/N1)C4=CC=CC=C4
InChI
InChI=1S/C22H18N2O2/c25-21(19-12-6-8-16-7-4-5-11-18(16)19)15-20-22(26)24(14-13-23-20)17-9-2-1-3-10-17/h1-12,15,23H,13-14H2/b20-15+
InChIKey
BQUIARAAYXXWEF-HMMYKYKNSA-N
Compound name
(3E)-3-(2-naphthalen-1-yl-2-oxoethylidene)-1-phenylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.13684 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.144116 182.6
[M+Na]+ 365.126058 187.9
[M-H]- 341.129564 187.9
[M+NH4]+ 360.170663 192.2
[M+K]+ 381.099998 180.0
[M+H-H2O]+ 325.134100 171.3
[M+HCOO]- 387.135041 196.5
[M+CH3COO]- 401.150691 190.6
[M+Na-2H]- 363.111506 185.1
[M]+ 342.13629142 176.3
[M]- 342.13738858 176.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.